Geometry & MOs

Info

ID:

428228

PubChem CID:

135166560

Reduced:

N2H42C67 (1)

Stoich.:

A2B42C67 (1)

Weight, g/mol:

774.303499

ΔHf, kcal/mol:

295.0

Dipole, Da:

1.27

IP(EA), eV:

 -8.03(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2-naphthalen-1-ylphenyl)phenyl]-N-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C3=CC=CC=C3C4=CC=CC=C4N(C5=CC6=C(C=C5)C7=CC=CC=C7C68C9=CC=CC=C9N1C2=CC=CC=C2C2=C1C8=CC=C2)C1=CC2=CC=CC=C2C2=CC=CC=C21

DOS

IR

Vibrations